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ScientificNameLabel
Caryophylla-4(14),8(15)-dien-5-ol
PHCD compound ID : 850
Chemical Names :
Caryophylla-4(12), 8(13)dien-5-alpha-ol , Caryophylla-4(14),8(15)-dien-5-ol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (5S)-11,11-dimethyl-4,8-dimethylene-bicyclo[7.2.0]undecan-5-ol , (5S)-11,11-dimethyl-4,8-dimethylene-5-bicyclo[7.2.0]undecanol , (5S)-11,11-dimethyl-4,8-dimethylidenebicyclo[7.2.0]undecan-5-ol , (5S)-11,11-dimethyl-4,8-dimethylidene-bicyclo[7.2.0]undecan-5-ol
Smiles: O[C@H]1CCC(=C)[C@@H]2[C@@H](CCC1=C)C(C2)(C)C
InChi : InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14+/m1/s1
InChi Key : InChIKey=CIIYOYPOMGIECX-MCIONIFRSA-N
PubChem ID : 6428430
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.634616
Hydrogen bond donor count : 1 Electric dipole moment : 2.138
XLogP : 4.059 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.533000
Herb list :
Refrences & Litretures:
  
67.      Journal:'Innovative Food Science and Emerging Technologies'      Year:'2012'      Volume:'14'      Page:'85'      DOI:'10.1016/j.ifset.2012.01.002'      Title:'Comparison of ohmic-assisted hydrodistillation with traditional hydrodistillation for the extraction of essential oils from Thymus vulgaris L'
158.      Journal:'JOURNAL OF BIOSCIENCE AND BIOENGINEERING'      Year:'2008'      Volume:'105'      Page:'176'      DOI:'10.1263/jbb.105.176'      Title:'Mass Propagation and Essential Oil Analysis of Artemisia vulgaris'
826.      Journal:'Jeobp'      Year:'2007'      Volume:'10'      Page:'314'      DOI:''      Title:'Essential Oil Composition of Chenopodium botrys L. from Iran'
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